E944-0049 Screening compound: N-(4-fluorobenzyl)-N-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)amine

E944-0049 Screening compound: N-(4-fluorobenzyl)-N-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)amine
E944-0049 Screening compound: N-(4-fluorobenzyl)-N-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E944-0049
N-(4-fluorobenzyl)-N-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E944-0049

Molecular Formula

C13H11FN4O (C13 H11 FN4 O)

Compound Name

N-(4-fluorobenzyl)-N-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)amine

IUPAC name

N-[(4-fluorophenyl)methyl]-3-methyl-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

Cc1noc2c1c(NCc(cc1)ccc1F)ncn2

InChI

InChI=1S/C13H11FN4O/c1-8-11-12(16-7-17-13(11)19-18-8)15-6-9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3,(H,15,16,17)

InChI Key

DHNHCFMBLRCMCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.129

Distribution Coefficient, logD

2.129

Water Solubility, LogSw

-2.55

Polar Surface Area

53.101

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

E944-0049 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with E944-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E944-0049?
Check Price and Availability of E944-0049, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E944-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E944-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E944-0049
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E944-0049 available by request